Product Name

  • Name

    Mycophenolic acid

  • EINECS 246-119-3
  • CAS No. 24280-93-1
  • Article Data27
  • CAS DataBase
  • Density 1.29 g/cm3
  • Solubility Almost insoluble in cold water. Soluble in alcohol
  • Melting Point 141 °C
  • Formula C17H20O6
  • Boiling Point 611.6 °C at 760 mmHg
  • Molecular Weight 320.342
  • Flash Point 225.8 °C
  • Transport Information
  • Appearance White to off-white powder
  • Safety 53-45-36/37
  • Risk Codes 22-61-40
  • Molecular Structure Molecular Structure of 24280-93-1 (Mycophenolic acid)
  • Hazard Symbols HarmfulXn
  • Synonyms 4-Hexenoic acid,6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)- (8CI);(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoicacid;Melbex;
  • PSA 93.06000
  • LogP 2.73320

Synthetic route

ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoate
32483-51-5

ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoate

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
With lithium hydroxide In methanol for 12h;98%
With lithium hydroxide In methanol at 23℃; for 5h;93%
With lithium hydroxide In methanol; water at 25℃; for 1h;71%
methyl mycophenolate
31858-66-9

methyl mycophenolate

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
With lithium hydroxide monohydrate In tetrahydrofuran; water at 25℃; for 24h;96%
With lithium hydroxide In tetrahydrofuran for 3h; Ambient temperature;85%
With water; lithium hydroxide In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;66%
7-hydroxy-6-[(E)-6-hydroxy-3-methylhex-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one
31327-49-8

7-hydroxy-6-[(E)-6-hydroxy-3-methylhex-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
With jones reagent In acetone at -30℃; for 5h;61%
D-glucose
50-99-7

D-glucose

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
With manganese(II) sulfate; potassium permanganate; potassium dihydrogenphosphate; L-methionine; Penicillium brevicompactum No. 4-23-11 spores; magnesium sulfate; copper(II) sulfate; iron(II) sulfate; glycine; zinc(II) sulfate In water at 26℃; for 360h; Product distribution; effect of the spore concentration, effect of addition of various adsorbents;
With manganese(II) sulfate; potassium permanganate; potassium dihydrogenphosphate; L-methionine; Celite; Penicillium brevicompactum No. 4-23-11 spores; magnesium sulfate; copper(II) sulfate; iron(II) sulfate; glycine; zinc(II) sulfate In water at 26℃; for 360h; Product distribution; various drug-resistant, methionine or glutamate auxotrophic mutants, effect of L-methionine concentration, effect of L-glutamate concentration;
7-O-Methylmycophenolic acid
38877-93-9

7-O-Methylmycophenolic acid

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 189 mg / ethyl acetate
2: BCl3 / CH2Cl2 / 12 h / 20 °C
3: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: ethyl acetate
2: 86 percent / BCl3 / CH2Cl2 / 192 h
3: LiOH / H2O
View Scheme
5,7-dimethoxy-6-(5-methoxycarbonyl-3-methyl-2-pentenyl)-4-methylphthalide
60435-90-7

5,7-dimethoxy-6-(5-methoxycarbonyl-3-methyl-2-pentenyl)-4-methylphthalide

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: BCl3 / CH2Cl2 / 12 h / 20 °C
2: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 86 percent / BCl3 / CH2Cl2 / 192 h
2: LiOH / H2O
View Scheme
(E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enal
545392-47-0

(E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enal

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: Jones reagent / acetone / 4 h / -30 °C
2: 189 mg / ethyl acetate
3: BCl3 / CH2Cl2 / 12 h / 20 °C
4: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: CrO3, acid / acetone / -30 °C
2: ethyl acetate
3: 86 percent / BCl3 / CH2Cl2 / 192 h
4: LiOH / H2O
View Scheme
6-((E)-3,7-Dimethyl-octa-2,6-dienyl)-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one
207398-37-6

6-((E)-3,7-Dimethyl-octa-2,6-dienyl)-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: O3 / methanol / -78 °C
1.2: Me2S / methanol / 3 h / -10 - 20 °C
2.1: Jones reagent / acetone / 4 h / -30 °C
3.1: 189 mg / ethyl acetate
4.1: BCl3 / CH2Cl2 / 12 h / 20 °C
5.1: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: 75.4 percent / NaOAc; m-CPBA / CH2Cl2 / 7 h / -70 °C
2: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
3: Jones reagent / acetone / 4 h / -30 °C
4: 189 mg / ethyl acetate
5: BCl3 / CH2Cl2 / 12 h / 20 °C
6: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 5 steps
1: O3, Me2S / CH2Cl2; pyridine / -78 °C
2: CrO3, acid / acetone / -30 °C
3: ethyl acetate
4: 86 percent / BCl3 / CH2Cl2 / 192 h
5: LiOH / H2O
View Scheme
3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-2,4-dimethoxy-5-methyl-benzoic acid methyl ester
207398-36-5

3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-2,4-dimethoxy-5-methyl-benzoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: 100 percent / K2CO3 / methanol / 6 h
2.1: O3 / methanol / -78 °C
2.2: Me2S / methanol / 3 h / -10 - 20 °C
3.1: Jones reagent / acetone / 4 h / -30 °C
4.1: 189 mg / ethyl acetate
5.1: BCl3 / CH2Cl2 / 12 h / 20 °C
6.1: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1: 100 percent / K2CO3 / methanol / 6 h
2: 75.4 percent / NaOAc; m-CPBA / CH2Cl2 / 7 h / -70 °C
3: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
4: Jones reagent / acetone / 4 h / -30 °C
5: 189 mg / ethyl acetate
6: BCl3 / CH2Cl2 / 12 h / 20 °C
7: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: K2CO3 / methanol
2: O3, Me2S / CH2Cl2; pyridine / -78 °C
3: CrO3, acid / acetone / -30 °C
4: ethyl acetate
5: 86 percent / BCl3 / CH2Cl2 / 192 h
6: LiOH / H2O
View Scheme
3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dimethoxy-benzoic acid methyl ester
207402-09-3

3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dimethoxy-benzoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1.1: 89 percent / NaBH4 / methanol / 0.5 h
2.1: Et3N / CH2Cl2 / 2.5 h / 25 °C
3.1: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
4.1: 100 percent / K2CO3 / methanol / 6 h
5.1: O3 / methanol / -78 °C
5.2: Me2S / methanol / 3 h / -10 - 20 °C
6.1: Jones reagent / acetone / 4 h / -30 °C
7.1: 189 mg / ethyl acetate
8.1: BCl3 / CH2Cl2 / 12 h / 20 °C
9.1: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 10 steps
1: 89 percent / NaBH4 / methanol / 0.5 h
2: Et3N / CH2Cl2 / 2.5 h / 25 °C
3: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
4: 100 percent / K2CO3 / methanol / 6 h
5: 75.4 percent / NaOAc; m-CPBA / CH2Cl2 / 7 h / -70 °C
6: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
7: Jones reagent / acetone / 4 h / -30 °C
8: 189 mg / ethyl acetate
9: BCl3 / CH2Cl2 / 12 h / 20 °C
10: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 9 steps
1: 89 percent / NaBH4 / methanol
2: Et3N / CH2Cl2 / 1.5 h
3: NaBH4 / dimethylformamide
4: K2CO3 / methanol
5: O3, Me2S / CH2Cl2; pyridine / -78 °C
6: CrO3, acid / acetone / -30 °C
7: ethyl acetate
8: 86 percent / BCl3 / CH2Cl2 / 192 h
9: LiOH / H2O
View Scheme
3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxymethyl-2,4-dimethoxy-benzoic acid methyl ester
207402-10-6

3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxymethyl-2,4-dimethoxy-benzoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: Et3N / CH2Cl2 / 2.5 h / 25 °C
2.1: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
3.1: 100 percent / K2CO3 / methanol / 6 h
4.1: O3 / methanol / -78 °C
4.2: Me2S / methanol / 3 h / -10 - 20 °C
5.1: Jones reagent / acetone / 4 h / -30 °C
6.1: 189 mg / ethyl acetate
7.1: BCl3 / CH2Cl2 / 12 h / 20 °C
8.1: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 9 steps
1: Et3N / CH2Cl2 / 2.5 h / 25 °C
2: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
3: 100 percent / K2CO3 / methanol / 6 h
4: 75.4 percent / NaOAc; m-CPBA / CH2Cl2 / 7 h / -70 °C
5: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
6: Jones reagent / acetone / 4 h / -30 °C
7: 189 mg / ethyl acetate
8: BCl3 / CH2Cl2 / 12 h / 20 °C
9: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 8 steps
1: Et3N / CH2Cl2 / 1.5 h
2: NaBH4 / dimethylformamide
3: K2CO3 / methanol
4: O3, Me2S / CH2Cl2; pyridine / -78 °C
5: CrO3, acid / acetone / -30 °C
6: ethyl acetate
7: 86 percent / BCl3 / CH2Cl2 / 192 h
8: LiOH / H2O
View Scheme
3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-methanesulfonyloxymethyl-2,4-dimethoxy-benzoic acid methyl ester

3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-methanesulfonyloxymethyl-2,4-dimethoxy-benzoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
2.1: 100 percent / K2CO3 / methanol / 6 h
3.1: O3 / methanol / -78 °C
3.2: Me2S / methanol / 3 h / -10 - 20 °C
4.1: Jones reagent / acetone / 4 h / -30 °C
5.1: 189 mg / ethyl acetate
6.1: BCl3 / CH2Cl2 / 12 h / 20 °C
7.1: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 8 steps
1: 372 mg / NaBH4 / dimethylformamide / 2.5 h / 25 °C
2: 100 percent / K2CO3 / methanol / 6 h
3: 75.4 percent / NaOAc; m-CPBA / CH2Cl2 / 7 h / -70 °C
4: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
5: Jones reagent / acetone / 4 h / -30 °C
6: 189 mg / ethyl acetate
7: BCl3 / CH2Cl2 / 12 h / 20 °C
8: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1: NaBH4 / dimethylformamide
2: K2CO3 / methanol
3: O3, Me2S / CH2Cl2; pyridine / -78 °C
4: CrO3, acid / acetone / -30 °C
5: ethyl acetate
6: 86 percent / BCl3 / CH2Cl2 / 192 h
7: LiOH / H2O
View Scheme
6-[5-(3,3-dimethyl-oxiranyl)-3-methyl-pent-2-enyl]-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one
545392-50-5

6-[5-(3,3-dimethyl-oxiranyl)-3-methyl-pent-2-enyl]-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: HIO4*2H2O / diethyl ether; tetrahydrofuran / 1 h / 0 °C
2: Jones reagent / acetone / 4 h / -30 °C
3: 189 mg / ethyl acetate
4: BCl3 / CH2Cl2 / 12 h / 20 °C
5: 92 mg / LiOH / methanol; H2O / 6 h / 20 °C
View Scheme
3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dihydroxy-benzoic acid methyl ester
207398-35-4

3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dihydroxy-benzoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: 88 percent / NaH / dimethylformamide
2: 89 percent / NaBH4 / methanol
3: Et3N / CH2Cl2 / 1.5 h
4: NaBH4 / dimethylformamide
5: K2CO3 / methanol
6: O3, Me2S / CH2Cl2; pyridine / -78 °C
7: CrO3, acid / acetone / -30 °C
8: ethyl acetate
9: 86 percent / BCl3 / CH2Cl2 / 192 h
10: LiOH / H2O
View Scheme
(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)acetaldehyde
24953-96-6

(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)acetaldehyde

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 86 percent / N,N-diisopropylethylamine / CH2Cl2 / 2 h / Ambient temperature
2: 67 percent / tetrahydrofuran / 0.67 h / -40 °C
3: pivalic acid / xylene / 6 h / 135 - 140 °C
4: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
5: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
4-Hydroxy-2-methoxy-5-methyl-3,6-dihydro-2H-benzo[2,1-b;3,4-c']difuran-8-one
193277-88-2

4-Hydroxy-2-methoxy-5-methyl-3,6-dihydro-2H-benzo[2,1-b;3,4-c']difuran-8-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 1.) NaH / 1.) DMF, 0 ged C, 15 min, 2.) DMF, a) 0 deg C, 30 min, b) RT, 30 min
2: 100 percent / 89percent formic acid / 0.33 h / Ambient temperature
3: 86 percent / N,N-diisopropylethylamine / CH2Cl2 / 2 h / Ambient temperature
4: 67 percent / tetrahydrofuran / 0.67 h / -40 °C
5: pivalic acid / xylene / 6 h / 135 - 140 °C
6: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
7: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
2,4-Dimethoxy-5-methyl-3,6-dihydro-2H-benzo[2,1-b;3,4-c']difuran-8-one
193277-77-9

2,4-Dimethoxy-5-methyl-3,6-dihydro-2H-benzo[2,1-b;3,4-c']difuran-8-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 100 percent / 89percent formic acid / 0.33 h / Ambient temperature
2: 86 percent / N,N-diisopropylethylamine / CH2Cl2 / 2 h / Ambient temperature
3: 67 percent / tetrahydrofuran / 0.67 h / -40 °C
4: pivalic acid / xylene / 6 h / 135 - 140 °C
5: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
6: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
[6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl]-acetaldehyde
172151-14-3

[6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl]-acetaldehyde

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 67 percent / tetrahydrofuran / 0.67 h / -40 °C
2: pivalic acid / xylene / 6 h / 135 - 140 °C
3: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
4: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
6-(2-hydroxy-3-methylbut-3-enyl)-5-methoxy-7-(2-methoxyethoxymethoxy)-4-methyl-3H-isobenzofuran-2-one
193277-85-9

6-(2-hydroxy-3-methylbut-3-enyl)-5-methoxy-7-(2-methoxyethoxymethoxy)-4-methyl-3H-isobenzofuran-2-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pivalic acid / xylene / 6 h / 135 - 140 °C
2: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
3: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
(E)-6-[6-Methoxy-4-(2-methoxy-ethoxymethoxy)-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid ethyl ester

(E)-6-[6-Methoxy-4-(2-methoxy-ethoxymethoxy)-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid ethyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: PPTS / 2-methyl-propan-2-ol / 6 h / 80 °C
2: 98 percent / aq. LiOH / methanol / 12 h
View Scheme
7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one
24282-61-9

7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 79 percent / benzyl trimethyl ammonium dichloroiodate, NaHCO3 / CH2Cl2; methanol / Ambient temperature
2: 86 percent / iPr2NEt / CH2Cl2 / 1.5 h
3: 53 percent / Pd(dba)2, AsPh3, NMP / 4 h / 100 °C
4: 88 percent / H2SO4 / methanol; tetrahydrofuran / 0.75 h / Ambient temperature
5: 85 percent / LiOH*H2O / tetrahydrofuran / 3 h / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: N-iodo-succinimide / N,N-dimethyl-formamide / 10 h / 25 °C
2: tetrakis(triphenylphosphine) palladium(0); triphenylphosphine / N,N-dimethyl-formamide / 16 h / 20 - 100 °C / Inert atmosphere
3: lithium hydroxide monohydrate / water; tetrahydrofuran / 24 h / 25 °C
View Scheme
Multi-step reaction with 3 steps
1: N-iodo-succinimide / N,N-dimethyl-formamide / 10 h / 25 °C
2: triphenylphosphine; palladium diacetate / N,N-dimethyl-formamide / 24 h / 100 °C
3: lithium hydroxide monohydrate / water; tetrahydrofuran / 24 h / 25 °C
View Scheme
7-hydroxy-6-iodo-5-methoxy-4-methylisobenzofuran-1(3H)-one
188291-73-8

7-hydroxy-6-iodo-5-methoxy-4-methylisobenzofuran-1(3H)-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 86 percent / iPr2NEt / CH2Cl2 / 1.5 h
2: 53 percent / Pd(dba)2, AsPh3, NMP / 4 h / 100 °C
3: 88 percent / H2SO4 / methanol; tetrahydrofuran / 0.75 h / Ambient temperature
4: 85 percent / LiOH*H2O / tetrahydrofuran / 3 h / Ambient temperature
View Scheme
6-Iodo-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxymethoxy)-3H-isobenzofuran-1-one
188291-75-0

6-Iodo-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxymethoxy)-3H-isobenzofuran-1-one

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / Pd(dba)2, AsPh3, NMP / 4 h / 100 °C
2: 88 percent / H2SO4 / methanol; tetrahydrofuran / 0.75 h / Ambient temperature
3: 85 percent / LiOH*H2O / tetrahydrofuran / 3 h / Ambient temperature
View Scheme
(E)-6-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxymethoxy)-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid methyl ester
188291-78-3

(E)-6-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxymethoxy)-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid methyl ester

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 88 percent / H2SO4 / methanol; tetrahydrofuran / 0.75 h / Ambient temperature
2: 85 percent / LiOH*H2O / tetrahydrofuran / 3 h / Ambient temperature
View Scheme
Ethyl E-6-<1,3-Dihydro-4-(tert-butyldimethylsilyloxy)-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl>-4-methyl-4-hexenoate
138768-43-1

Ethyl E-6-<1,3-Dihydro-4-(tert-butyldimethylsilyloxy)-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl>-4-methyl-4-hexenoate

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98 percent / nBu4NF / tetrahydrofuran / 1 h
2: 93 percent / aq. LiOH / methanol / 5 h / 23 °C
View Scheme
Multi-step reaction with 2 steps
1: 83 percent / n-Bu4NF / tetrahydrofuran / 0.25 h / 25 °C
2: 71 percent / LiOH / methanol; H2O / 1 h / 25 °C
View Scheme
(E)-6-acetoxy-4-methyl-4-hexenal
35334-60-2

(E)-6-acetoxy-4-methyl-4-hexenal

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1: 84 percent / NaBH4 / ethanol / 0.42 h / 25 °C
2: triethylamine / 4-(dimethylamino)pyridine / CH2Cl2 / 20 h / Ambient temperature
3: K2CO3 / methanol / 24 h / Ambient temperature
4: 1.) n-BuLi, 2.) methanesulfonyl chloride, 3.) Li2CuCl4 / 1.) THF/n-hexane, -78 deg C, 35 min, 2.) -78 deg C, 2 h, 3.) THF/n-hexane/diethyl ether -78 deg C to room temp. over 2.5 h then 25 deg C, 3 h
5: 73 percent / benzene / 14 h / 120 °C / in a sealed tube
6: 85 percent / Br2, tert butylamine / toluene / 4 h / -78 - 5 °C
7: 1.) CH3Li, LiBr, 2.) tert-BuLi / 1.) diethyl ether, 50 min, 2.) diethyl ether/pentane, -78 deg C, 1 h, 3.) -78 to 0 deg C, 30 min
8: conc. HCl / methanol / 4.5 h / Heating
9: 61 percent / Jones reagent / acetone / 5 h / -30 °C
View Scheme
<(2E)-6-Hydroxy-3-methyl-2-hexenyl>acetat
100045-79-2

<(2E)-6-Hydroxy-3-methyl-2-hexenyl>acetat

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: triethylamine / 4-(dimethylamino)pyridine / CH2Cl2 / 20 h / Ambient temperature
2: K2CO3 / methanol / 24 h / Ambient temperature
3: 1.) n-BuLi, 2.) methanesulfonyl chloride, 3.) Li2CuCl4 / 1.) THF/n-hexane, -78 deg C, 35 min, 2.) -78 deg C, 2 h, 3.) THF/n-hexane/diethyl ether -78 deg C to room temp. over 2.5 h then 25 deg C, 3 h
4: 73 percent / benzene / 14 h / 120 °C / in a sealed tube
5: 85 percent / Br2, tert butylamine / toluene / 4 h / -78 - 5 °C
6: 1.) CH3Li, LiBr, 2.) tert-BuLi / 1.) diethyl ether, 50 min, 2.) diethyl ether/pentane, -78 deg C, 1 h, 3.) -78 to 0 deg C, 30 min
7: conc. HCl / methanol / 4.5 h / Heating
8: 61 percent / Jones reagent / acetone / 5 h / -30 °C
View Scheme
(E)-6-((tert-butyldimethylsilyl)oxy)-3-methylhex-2-en-1-yl acetate
100045-80-5

(E)-6-((tert-butyldimethylsilyl)oxy)-3-methylhex-2-en-1-yl acetate

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: K2CO3 / methanol / 24 h / Ambient temperature
2: 1.) n-BuLi, 2.) methanesulfonyl chloride, 3.) Li2CuCl4 / 1.) THF/n-hexane, -78 deg C, 35 min, 2.) -78 deg C, 2 h, 3.) THF/n-hexane/diethyl ether -78 deg C to room temp. over 2.5 h then 25 deg C, 3 h
3: 73 percent / benzene / 14 h / 120 °C / in a sealed tube
4: 85 percent / Br2, tert butylamine / toluene / 4 h / -78 - 5 °C
5: 1.) CH3Li, LiBr, 2.) tert-BuLi / 1.) diethyl ether, 50 min, 2.) diethyl ether/pentane, -78 deg C, 1 h, 3.) -78 to 0 deg C, 30 min
6: conc. HCl / methanol / 4.5 h / Heating
7: 61 percent / Jones reagent / acetone / 5 h / -30 °C
View Scheme
(E)-3-methyl-6-<(tert-butyldimethylsilyl)oxy>-2-hexen-1-ol
100045-81-6

(E)-3-methyl-6-<(tert-butyldimethylsilyl)oxy>-2-hexen-1-ol

mycophenolic acid
24280-93-1

mycophenolic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 1.) n-BuLi, 2.) methanesulfonyl chloride, 3.) Li2CuCl4 / 1.) THF/n-hexane, -78 deg C, 35 min, 2.) -78 deg C, 2 h, 3.) THF/n-hexane/diethyl ether -78 deg C to room temp. over 2.5 h then 25 deg C, 3 h
2: 73 percent / benzene / 14 h / 120 °C / in a sealed tube
3: 85 percent / Br2, tert butylamine / toluene / 4 h / -78 - 5 °C
4: 1.) CH3Li, LiBr, 2.) tert-BuLi / 1.) diethyl ether, 50 min, 2.) diethyl ether/pentane, -78 deg C, 1 h, 3.) -78 to 0 deg C, 30 min
5: conc. HCl / methanol / 4.5 h / Heating
6: 61 percent / Jones reagent / acetone / 5 h / -30 °C
View Scheme
methanol
67-56-1

methanol

mycophenolic acid
24280-93-1

mycophenolic acid

methyl mycophenolate
31858-66-9

methyl mycophenolate

Conditions
ConditionsYield
With sulfuric acid for 2h; Heating;100%
With sulfuric acid for 20h; Ambient temperature;95%
With toluene-4-sulfonic acid for 2h; Reflux;95.86%
mycophenolic acid
24280-93-1

mycophenolic acid

sodium mycophenolate

sodium mycophenolate

Conditions
ConditionsYield
With sodium methylate In methanol; ethyl acetate at 20℃; for 1h; Product distribution / selectivity; Charcoal;97%
With sodium methylate In methanol; ethyl acetate at 20℃; for 0.5h; Product distribution / selectivity;94%
With sodium methylate In methanol; ISOPROPYLAMIDE at 20℃; for 0.166667h; Product distribution / selectivity;92%
mycophenolic acid
24280-93-1

mycophenolic acid

benzyl bromide
100-39-0

benzyl bromide

benzyl (4-O-benzyl)mycophenolate
1186295-41-9

benzyl (4-O-benzyl)mycophenolate

Conditions
ConditionsYield
With trimethylbenzylammonium bromide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 17h;96%
mycophenolic acid
24280-93-1

mycophenolic acid

allyl bromide
106-95-6

allyl bromide

(E)-allyl 6-(4-(allyloxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

(E)-allyl 6-(4-(allyloxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 20℃; for 18h;93%
ethanol
64-17-5

ethanol

mycophenolic acid
24280-93-1

mycophenolic acid

ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoate
32483-51-5

ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoate

Conditions
ConditionsYield
With toluene-4-sulfonic acid for 2h; Reflux;92%
mycophenolic acid
24280-93-1

mycophenolic acid

A

7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)isobenzofuran-1(3H)-one
26675-76-3

7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)isobenzofuran-1(3H)-one

B

mycochromanic acid
24243-38-7

mycochromanic acid

Conditions
ConditionsYield
With sulfuric acid In acetic acid for 4h; Heating;A 5%
B 90%
mycophenolic acid
24280-93-1

mycophenolic acid

trimethylsilyldiazomethane

trimethylsilyldiazomethane

5,7-dimethoxy-6-(5-methoxycarbonyl-3-methyl-2-pentenyl)-4-methylphthalide
60435-90-7

5,7-dimethoxy-6-(5-methoxycarbonyl-3-methyl-2-pentenyl)-4-methylphthalide

Conditions
ConditionsYield
In methanol at 20℃; for 12h;90%
lauric anhydride
645-66-9

lauric anhydride

mycophenolic acid
24280-93-1

mycophenolic acid

(E)-6-(1,3-dihydro-4-dodecanoyloxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
59058-47-8

(E)-6-(1,3-dihydro-4-dodecanoyloxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 120h;90%
mycophenolic acid
24280-93-1

mycophenolic acid

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

(E)-6-(4-tert-butyldimethylsilyloxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
1451181-22-8

(E)-6-(4-tert-butyldimethylsilyloxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide for 1h; Inert atmosphere;89%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 88h;60%
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

mycophenolic acid
24280-93-1

mycophenolic acid

C21H23NO8

C21H23NO8

Conditions
ConditionsYield
Stage #1: 1-hydroxy-pyrrolidine-2,5-dione; mycophenolic acid In acetonitrile Cooling with ice;
Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile for 24.5h;
89%
mycophenolic acid
24280-93-1

mycophenolic acid

nor-O-methylmycophenolic acid
31858-65-8

nor-O-methylmycophenolic acid

Conditions
ConditionsYield
With lithium iodide88.5%
With pyridine; 2,3,5-trimethyl-pyridine; lithium iodide at 120℃; for 18h;74%
mycophenolic acid
24280-93-1

mycophenolic acid

glycine ethyl ester hydrochloride
5680-79-5

glycine ethyl ester hydrochloride

methyl ester N-mycophenoylglycine

methyl ester N-mycophenoylglycine

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 50h;86%
mycophenolic acid
24280-93-1

mycophenolic acid

2',3'-isopropylidene adenosine
362-75-4

2',3'-isopropylidene adenosine

C30H35N5O9
1532533-29-1

C30H35N5O9

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine Inert atmosphere;86%
mycophenolic acid
24280-93-1

mycophenolic acid

tert-butylamine
75-64-9

tert-butylamine

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid t-butylamine salt
1000853-04-2

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid t-butylamine salt

Conditions
ConditionsYield
In ethyl acetate at 22 - 60℃; for 1h; Product distribution / selectivity;85.6%
2-(morpholin-4-yl)ethanol
622-40-2

2-(morpholin-4-yl)ethanol

mycophenolic acid
24280-93-1

mycophenolic acid

mycophenolate mofetil
115007-34-6

mycophenolate mofetil

Conditions
ConditionsYield
toluene-4-sulfonic acid at 160℃; for 5h; Product distribution / selectivity;84%
(1S)-10-camphorsulfonic acid at 150 - 155℃; for 8h; Product distribution / selectivity;84%
at 160℃; for 5h; Product distribution / selectivity;84%
mycophenolic acid
24280-93-1

mycophenolic acid

tert-butyl (2-((2-aminoethyl)(methyl)amino)ethyl)carbamate
263162-13-6

tert-butyl (2-((2-aminoethyl)(methyl)amino)ethyl)carbamate

(E)-tert-butyl 2-((2-(6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamido)ethyl)(methyl)amino)ethylcarbamate
1333040-76-8

(E)-tert-butyl 2-((2-(6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamido)ethyl)(methyl)amino)ethylcarbamate

Conditions
ConditionsYield
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In acetonitrile at 20℃; for 18h;84%
(OC-6-33)-(diammine)dichloridodihydroxidoplatinum(IV)
125074-46-6, 31246-62-5, 31246-63-6, 31246-66-9, 53261-25-9

(OC-6-33)-(diammine)dichloridodihydroxidoplatinum(IV)

mycophenolic acid
24280-93-1

mycophenolic acid

C34H44Cl2N2O12Pt

C34H44Cl2N2O12Pt

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide at 40℃; for 60h; Temperature; Darkness;83.9%
mycophenolic acid
24280-93-1

mycophenolic acid

acetic anhydride
108-24-7

acetic anhydride

7-O-Acetylmycophenolic acid
31377-08-9

7-O-Acetylmycophenolic acid

Conditions
ConditionsYield
With pyridine; dmap at 0℃;83%
With pyridine; dmap at 20℃;62%
mycophenolic acid
24280-93-1

mycophenolic acid

tert-butyl 2-(2-aminoethoxy)ethylcarbamate
127828-22-2

tert-butyl 2-(2-aminoethoxy)ethylcarbamate

(E)-tert-butyl 2-(2-(6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamido)ethoxy)ethylcarbamate
1333040-60-0

(E)-tert-butyl 2-(2-(6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamido)ethoxy)ethylcarbamate

Conditions
ConditionsYield
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In acetonitrile at 20℃; for 18h;83%
mycophenolic acid
24280-93-1

mycophenolic acid

3-(5-Carboxy-3-methyl-pent-2t-enyl)-4-hydroxy-6-hydroxymethyl-2-methoxy-toluol; 6-(6-Hydroxy-4-hydroxymethyl-2-methoxy-3-methyl-phenyl)-4-methyl-hex-4t-ensaeure
31848-65-4

3-(5-Carboxy-3-methyl-pent-2t-enyl)-4-hydroxy-6-hydroxymethyl-2-methoxy-toluol; 6-(6-Hydroxy-4-hydroxymethyl-2-methoxy-3-methyl-phenyl)-4-methyl-hex-4t-ensaeure

Conditions
ConditionsYield
With lithium hydroxide In water for 96h; Heating;82%
mycophenolic acid
24280-93-1

mycophenolic acid

α,β-D-glucuronate

α,β-D-glucuronate

mycophenolic acid-O-acyl-β-D-glucopyranuronoside benzyl ester

mycophenolic acid-O-acyl-β-D-glucopyranuronoside benzyl ester

Conditions
ConditionsYield
Stage #1: mycophenolic acid; α,β-D-glucuronate With 4-methyl-morpholine In acetonitrile at 20℃; for 2h; Molecular sieve; Inert atmosphere;
Stage #2: With 2-(1H-9-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluroniumhexafluorophosphate In acetonitrile at 20℃; for 3h; Inert atmosphere; Molecular sieve;
82%
mycophenolic acid
24280-93-1

mycophenolic acid

(R)-leucine methyl ester hydrochloride
5845-53-4, 6322-53-8, 7517-19-3

(R)-leucine methyl ester hydrochloride

methyl ester N-mycophenoyl-D-leucine

methyl ester N-mycophenoyl-D-leucine

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 50h;81%
mycophenolic acid
24280-93-1

mycophenolic acid

propargyl bromide
106-96-7

propargyl bromide

prop-2-yn-1-yl (E)-6-(6-methoxy-7-methyl-3-oxo-4-(prop-2-yn-1-yloxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

prop-2-yn-1-yl (E)-6-(6-methoxy-7-methyl-3-oxo-4-(prop-2-yn-1-yloxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene; acetonitrile at 20℃; for 48h;81%
mycophenolic acid
24280-93-1

mycophenolic acid

4-chloro-3-trifluoromethyl-aniline
320-51-4

4-chloro-3-trifluoromethyl-aniline

(E)-N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamide

(E)-N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enamide

Conditions
ConditionsYield
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;80%
mycophenolic acid
24280-93-1

mycophenolic acid

triethylamine
121-44-8

triethylamine

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid triethylamine salt
66341-85-3

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid triethylamine salt

Conditions
ConditionsYield
In ethyl acetate at 10 - 60℃; for 1h; Product distribution / selectivity;78.7%
In ethyl acetate for 0.5h;
mycophenolic acid
24280-93-1

mycophenolic acid

D-alanine methyl ester hydrochloride
14316-06-4

D-alanine methyl ester hydrochloride

methyl ester N-mycophenoyl-D-alanine

methyl ester N-mycophenoyl-D-alanine

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 50h;77%
2-(triphenylphosphoranylidene)propionaldehyde
24720-64-7

2-(triphenylphosphoranylidene)propionaldehyde

mycophenolic acid
24280-93-1

mycophenolic acid

(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enal
24280-92-0

(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enal

Conditions
ConditionsYield
Stage #1: mycophenolic acid With osmium(VIII) oxide; 4-methylmorpholine N-oxide In tetrahydrofuran; water; acetone at 20℃; for 1.5h;
Stage #2: 2-(triphenylphosphoranylidene)propionaldehyde In benzene at 90℃; for 24h; Inert atmosphere;
77%
mycophenolic acid
24280-93-1

mycophenolic acid

isopropylamine
75-31-0

isopropylamine

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid isopropylamine salt
1000853-03-1

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid isopropylamine salt

Conditions
ConditionsYield
In ethyl acetate at 11 - 55℃; for 2h;75.1%

Mycophenolic acid Chemical Properties

Molecular Structure of Mycophenolic acid (CAS NO.24280-93-1):

CAS Number: 24280-93-1
Molecular Formula: C17H20O6
Molecular Weight: 320.37
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 71.06 Å2
EINECS: 246-119-3
Density: 1.29 g/cm3
Melting Point: 141oC
Boiling Point: 611.6oC at 760 mmHg
Flash Point: 225.8oC
Solubility: Almost insoluble in cold water. Soluble in alcohol
Appearance: White to off-white powder
Properties: Needles from hot water.
Storage temp: 2-8oC
Solubility:methanol: 50 mg/mL, clear, colorless to faintly yellow
Form: powder
Merck: 13,6352 
Product Categories: Active Pharmaceutical Ingredients; Aromatics Compounds; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals
InChI
InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
Smiles
c12c(c(c(C\C=C(\CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2

Mycophenolic acid Toxicity Data With Reference

1.    

dni-mus:lym 200 nmol/L

    CNREA8    Cancer Research. 45 (1985),5512.
2.    

oms-mus:lym 400 nmol/L

    CNREA8    Cancer Research. 45 (1985),5512.
3.    

orl-rat LD50:352 mg/kg

    TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400.
4.    

ivn-rat LD50:450 mg/kg

    PMDCAY    Progress in Medical Chemistry. 9 (1973),1.
5.    

ipr-rat LD50:220 mg/kg

    TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400.
6.    

scu-rat LD50:230 mg/kg

    TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400.
7.    

orl-mus LDLo:1000 mg/kg

    85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),445.
8.    

ipr-mus LD50:505 mg/kg

    TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400.
9.    

ivn-mus LDLo:500 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 3 (1978),1740.

Mycophenolic acid Consensus Reports

EPA Genetic Toxicology Program.

Mycophenolic acid Safety Profile

A poison by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Mycophenolic acid (CAS NO.24280-93-1):
Hazard Codes: HarmfulXn
Risk Statements: 22-61-40
R22:Harmful if swallowed. 
R61:May cause harm to the unborn child. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 53-45-36/37
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
RTECS: MP8050000
F: 10
HazardClass: 6.1(b)
PackingGroup: III

Mycophenolic acid Specification

  Mycophenolic acid , with CAS number of 24280-93-1, can be called 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid ; 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid . It is a white to off-white powder. Mycophenolic acid (CAS NO.24280-93-1) is an antibiotic produced by Penicillium brevi-compactum, P. Stoloniferum and related spp. A selective inhibitor of lymphocyte proliferation by blocking inosine monophosphate dehydrogenase, an enzyme involved in the de novo synthesis of purine nucleot.

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View